[Wien] Should we use -redklist during run_ bandplothf_lapw?

Dear Wien2k users, After getting a solution using HSE06, during the band structure plotting when we use case.klist band, should we use run_ bandplothf_lapw -up/dn -redklist? Looking forward to listening from you. With regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics

Re: [Wien] QTL quantization axis for Y_lm orbitals

Dear Sylwia, dear Prof. Blaha, dear All, Having these A_lm, B_lm etc is of course a problem if one wants to estimate interferences in dipole optical matrix element due to phases at which different Y_lm orbitals enter the wave function. It would be good to have a single complex number per Y_lm.

Re: [Wien] QTL quantization axis for Y_lm orbitals

Well, I'm not sure I do understand all your problems, but a few comments: a) XMCD is implemented in   optics ! b) I do not see the problem with A_lm, B_lm C_lm,..., because in any case  A_lm (or for semicore a C_lm) will dominate and you can probably neglect the B_lm and the corresponding u-do

Re: [Wien] Should we use -redklist during run_ bandplothf_lapw?

I was not sure if I actually should answer this, as it is so trivial What should you do when you are not sure about the usage of a WIEN2k script: Use the  -h  option ! run_bandplothf -h run_bandplothf_lapw prepares a bandstructure plot for hybrid-DFT calculations. The steps are (use identica